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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 271 records · Page 15

Design and analysis of optimal pre-cooling in residential buildings

Existing pre-cooling strategies provide a means of shifting or reducing the peak demand and/or energy cost in residential buildings. However, majority of them are rule-based and therefore may not be optimal in terms of cost saving, leaving room for improvement. In this paper, an integer linear programming problem that accounts for the thermal properties of a specific home, HVAC system capacity, utility rate structure, and weather conditions and makes use of a home thermal model is formulated. This problem determines the HVAC on/off control signal that minimizes the 24-h energy cost while maintaining thermal comfort and calculates the corresponding optimal indoor air temperature. The model is constructed using home thermal properties identified via data training in real-time. Through simulation, the energy performance of the proposed optimal pre-cooling strategy is investigated and compared with three rule-based operation strategies from the literature. It is found that the optimal strategy requires the least energy consumption without sacrificing thermal comfort. The superb energy performance of the optimal strategy is attributed to a longer runtime of the HVAC system in cool outdoor air conditions and to the elimination of deadband in HVAC operation, which is required by the rule-based strategies, to allow the indoor air temperature to stay near the thermal comfort upper bound as much as possible. In terms of energy cost, the rule-based operation strategies require 3.52, 1.90, and 2.79, respectively, while the optimal strategy only requires 1.52. These figures represent a saving of 56.82%, 20.00%, and 45.52%, respectively. The results suggest that the optimal strategy is indeed significantly more effective than the existing rule-based operation strategies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Coupled Lindblad Pseudomode Theory for Simulating Open Quantum Systems

Coupled Lindblad pseudomode theory is a promising approach for simulating non-Markovian quantum dynamics on both classical and quantum platforms, with dynamics that can be realized as a quantum channel. We provide theoretical evidence that the number of coupled pseudomodes only needs to scale as polylog⁡(𝑇/𝜖) in the simulation time 𝑇 and precision 𝜖. Inspired by the realization problem in control theory, we also develop a robust numerical algorithm for constructing the coupled modes that avoid the nonconvex optimization required by existing approaches. We demonstrate the effectiveness of our method by computing population dynamics and absorption spectra for the spin-boson model. Furthermore, this Letter provides a significant theoretical and computational improvement to the coupled Lindblad framework, which impacts a broad range of applications from classical simulations of quantum impurity problems to quantum simulations on near-term quantum platforms.

Anderson impurity model↗

Unified many-worlds browsing of arbitrary physics-based animations

Manually tuning physics-based animation parameters to explore a simulation outcome space or achieve desired motion outcomes can be notoriously tedious. This problem has motivated many sophisticated and specialized optimization-based methods for fine-grained (keyframe) control, each of which are typically limited to specific animation phenomena, usually complicated, and, unfortunately, not widely used. In this paper, we propose Unified Many-Worlds Browsing (UMWB), a practical method for sample-level control and exploration of physics-based animations. Our approach supports browsing of large simulation ensembles of arbitrary animation phenomena by using a unified volumetric WORLDPACK representation based on spatiotemporally compressed voxel data associated with geometric occupancy and other low-fidelity animation state. Beyond memory reduction, the WORLDPACK representation also enables unified query support for interactive browsing: it provides fast evaluation of approximate spatiotemporal queries, such as occupancy tests that find ensemble samples ("worlds") where material is either IN or NOT IN a user-specified spacetime region. WORLDPACKS also support real-time hardware-accelerated voxel rendering by exploiting the spatially hierarchical and temporal RLE raster data structure. Our UMWB implementation supports interactive browsing (and offline refinement) of ensembles containing thousands of simulation samples, and fast spatiotemporal queries and ranking. We show UMWB results using a wide variety of physics-based animation phenomena---not just JELL-O ® .

Computer Science↗

pnnl/neuromancer

Dynamics-based deep learning methods to modernize current scientific computing methods. Neuromancer is currently capable of solving inverse problems for a system of ordinary differential equations. The functionality includes system identification and constrained optimal control of unknown or partially known ODEs.

Skomski, Elliott↗

Parallel Time Integration for Constrained Optimization

The number of transistors in an average processor continues to increase, but individual clock speeds have plateaued. Those transistors are instead going into additional cores, increasing the number of different things that a processor can do at once and placing an emphasis on parallel computation. Many problems in scientific computing follow a time-evolution model, and it can be difficult to solve such problems in parallel across the temporal domain. The Multi-Grid Reduction In Time (MGRIT) algorithm, developed at Lawrence Livermore National Laboratory (LLNL), solves differential equations with a method designed specifically to take advantage of extreme numbers of processors by parallelizing across time. The Tri-diagonal MGRIT (TriMGRIT) algorithm, also developed at LLNL, is a generalization of MGRIT which enables parallel-in-time solving of a greater number of problems. Constrained optimization problems, in particular, may be solved in parallel using TriMGRIT. These consist of choosing a control function such that an objective functional is minimized, constrained by a differential-equation. We consider two such problems: applying torque to a pendulum to bring it to a gentle stop and moving a crowd of people from one distribution into another. We also perform some miscellaneous theoretical and practical research, including investigating the use of a line-search subroutine to refine intermediate TriMGRIT results and preliminary work on strategies for choosing operators for TriMGRIT to use.

97 MATHEMATICS AND COMPUTING↗

Curriculum-based Reinforcement Learning for Distribution System Critical Load Restoration

This paper focuses on the critical load restoration problem in distribution systems following major outages. To provide fast online response and optimal sequential decision-making support, a reinforcement learning (RL) based approach is proposed to optimize the restoration. Due to the complexities stemming from the large policy search space, renewable uncertainty, and nonlinearity in a complex grid control problem, directly applying RL algorithms to train a satisfactory policy requires extensive tuning to be successful. To address this challenge, this paper leverages the curriculum learning (CL) technique to design a training curriculum involving a simpler steppingstone problem that guides the RL agent to learn to solve the original hard problem in a progressive and more effective manner. We demonstrate that compared with direct learning, CL facilitates controller training to achieve better performance. To study realistic scenarios where renewable forecasts used for decision-making are in general imperfect, the experiments compare the trained RL controllers against two model predictive controllers (MPCs) using renewable forecasts with different error levels and observe how these controllers can hedge against the uncertainty. Results show that RL controllers are less susceptible to forecast errors than the baseline MPCs and can provide a more reliable restoration process.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Validation and Demonstration of Control System Functional Capabilities within the IES Plug-and-Play Simulation Environment

The concept of an integrated energy system (IES) is meant to combine different energy technologies in synergistic ways to achieve a more secure and economical energy supply. The RAVEN-based HYBRID framework is used to find the optimal installed capacity and the optimal economical dispatch of each component of the IES. The new RAVEN plugin for grid and capacity optimization (HERON) only addresses the limits that affect the production variables and the corresponding rates of variation (explicit constraints). However, other variables are subject to constraints, and the associated limits should be accounted for (implicit constraints). In particular, for the power dispatch problem, the optimization algorithm takes into account the limits on the electrical power output and the corresponding hourly power variations but does not consider other constraints on process variables whose response affects the service life of the IES. This report describes a scheme that allows accounting for implicit constraints without increasing the size of the optimization problem. To obtain a more accurate approximation of the nonlinear dynamic behavior, a parametric version of the dynamic mode decomposition with control (DMDc) algorithm was developed to derive the state-space representation matrices of the IES components at different scheduling parameter. Thanks to this approach, a more accurate approximation of the system response can be obtained, the limits imposed by thermal mechanical implicit constraints can be translated into power dispatch limits, and the feedbacks to HERON power dispatcher can be provided. To assess the developed methodology, a power dispatching test case composed of three power generating and storage units (Balance of Plant, Secondary Energy Source, Thermal Energy Storage) was developed. The power output of each one of the three units was optimized to meet the imposed time-dependent load demand trajectory and to maximize the IES profitability by meeting both the explicit and implicit constraints.

24 POWER TRANSMISSION AND DISTRIBUTION↗

On the dual advantage of placing observations through forward sensitivity analysis

The four-dimensional variational data assimilation methodology for assimilating noisy observations into a deterministic model has been the workhorse in forecasting centres for over three decades. While this method provides a computationally efficient framework for dynamic data assimilation, it is largely silent on the important question concerning the minimum number and placement of observations. To answer this question, we demonstrate the dual advantage of placing the observations where the square of the sensitivity of the model solution with respect to the unknown control variables, called forward sensitivities, attains its maximum. By following this approach, we can force the observability Gramian to be of full rank, which in turn guarantees efficient recovery of the optimal values of the control variables, which is the first of the two advantages of this strategy. We further show that the proposed strategy of placing observations has another inherent optimality: the square of the sensitivity of the optimal estimates of the control with respect to the observations (used to obtain these estimates) attains its minimum value, a second advantage that is a direct consequence of the above strategy for placing observations. Our analytical framework and numerical experiments on linear and nonlinear systems confirm the effectiveness of our proposed strategy.

97 MATHEMATICS AND COMPUTING↗

A Fairness-based Distributed Energy Coordination for Voltage Regulation in Distribution Systems

The rapid adoption of photovoltaic (PV) systems combined with falling prices of energy storage is paving the way for a future in which customers could locally supply their energy needs and export surplus power to the grid. However, reverse power flow from multiple sites in a network can cause overvoltage that decreases system reliability and the utilization level of PV system. In this paper, we present a two-stage approach to solve the energy coordination problem in distribution networks. In the first stage, a household with PV and energy storage is optimized to allow customers to adopt different control strategies such as load following and tariff arbitrage. We show that such customer-led control strategies can cause reverse power flows during peak PV generation periods, thus resulting in overvoltage. In such cases, the second stage of the proposed approach is called upon to solve a fairness-based energy coordination problem that can maintain voltages within limits while maximizing the PV generation while fairly distributing the actions among all the PV systems. As a result, each of the resources in the network has equal opportunity to export power and shares the responsibility of voltage regulation. Simulation studies have been carried out on the IEEE 13-bus test feeder to verify the effectiveness of the proposed approach.

Distributed energy resources, fairness, overvoltag↗

An Approach to Realize Generalized Optimal Motion Primitives Using Physics Informed Neural Networks

Autonomous manipulation is a challenging problem in field robotics due to uncertainty in object properties, constraints, and coupling phenomenon with robot control systems. Humans learn motion primitives over time to effectively interact with the environment. We postulate that autonomous manipulation can be enabled by basic sets of motion primitives as well, but do not necessitate mimicking human motion primitives. Here, this work presents an approach to generalized optimal motion primitives using physics-informed neural networks. Our simulated and experimental results demonstrate that optimality is notionally maintained where the mean maximum observed final position percent error was 0.564% and the average mean error for all the trajectories was 1.53%. These results indicate that notional generalization is attained using a physics-informed neural network approach that enables near optimal real-time adaptation of primitive motion profiles.

97 MATHEMATICS AND COMPUTING↗

A Two-Stage Approach for PV Inverter Engagement in Power Factor Correction and Voltage Regulation

The rapid integration of distributed energy resources, like solar photovoltaics (PVs), can lead to overvolt-age challenges due to reverse power flow and a noticeable decrease in power factor at the substation interface. While existing literature extensively explores utilizing smart inverter capabilities for reactive power flexibility using a volt-var curve (VVC), obtaining time-varying operating points of such curves in real-time is challenging due to computational demands and communication requirements. Similarly, employing optimization-based approaches for reactive power control and active voltage regulation in large-scale distribution feeders is difficult due to the complexity of the problem and the challenges in effectively engaging customer-owned resources. This paper proposes a two-stage strategy to harness smart inverters for reactive power support. The first stage formulates short-term planning by optimally designing VVCs (on a daily or hourly basis) for large-scale solar PVs based on projected system needs and communicating optimal curves to smart inverters in advance. Subsequently, the second stage employs a transactive-based method to involve customer-owned PVs for reactive power support, effectively enhancing overall system performance and addressing real-time demands. In conclusion, the efficacy of this approach will be demonstrated using real-world distribution circuits provided by Vermont Electric Power Company (VELCO) and Vermont Electric Cooperative (VEC).

Poudel, Shiva [Pacific Northwest National Laborato↗

Battery Electric Vehicle Eco-Cooperative Adaptive Cruise Control in the Vicinity of Signalized Intersections

This study develops a connected eco-driving controller for battery electric vehicles (BEVs), the BEV Eco-Cooperative Adaptive Cruise Control at Intersections (Eco-CACC-I). The developed controller can assist BEVs while traversing signalized intersections with minimal energy consumption. The calculation of the optimal vehicle trajectory is formulated as an optimization problem under the constraints of (1) vehicle acceleration/deceleration behavior, defined by a vehicle dynamics model; (2) vehicle energy consumption behavior, defined by a BEV energy consumption model; and (3) the relationship between vehicle speed, location, and signal timing, defined by vehicle characteristics and signal phase and timing (SPaT) data shared under a connected vehicle environment. The optimal speed trajectory is computed in real-time by the proposed BEV eco-CACC-I controller, so that a BEV can follow the optimal speed while negotiating a signalized intersection. The proposed BEV controller was tested in a case study to investigate its performance under various speed limits, roadway grades, and signal timings. In addition, a comparison of the optimal speed trajectories for BEVs and internal combustion engine vehicles (ICEVs) was conducted to investigate the impact of vehicle engine types on eco-driving solutions. Lastly, the proposed controller was implemented in microscopic traffic simulation software to test its networkwide performance. The test results from an arterial corridor with three signalized intersections demonstrate that the proposed controller can effectively reduce stop-and-go traffic in the vicinity of signalized intersections and that the BEV Eco-CACC-I controller produces average savings of 9.3% in energy consumption and 3.9% in vehicle delays.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Recent advances in computational mathematics and applications

We are honored to bring you this special issue dedicated to recent advances in computational mathematics and applications in science and engineering. The papers in this special issue were presented in ”Conference on Computational Mathematics and Applications (CCMA)” held at the University of Nevada Las Vegas (UNLV) during October 25–27, 2019. The conference has attracted about 90 attendees from six countries. The 15 papers in the special issue comprise a diverse collection of theoretical numerical analysis as well as applications in various subjects. Topics cover optimal control of PDEs, discontinuous Galerkin methods, fluid flow in porous media, turbulence flow, static and moving interface problems, complex fluids composed by the mixture of Newtonian fluid and nematic (liquid crystal) flows, modeling of ocean–atmosphere system, image segmentation algorithm, uncertainty quantification problems for turbulence model and Maxwell’s equations, iterative solver for systems resulting from mixed methods, and novel methods for solving systems of nonlinear equations. As the Guest Editors we would like to thank Dr. Leland Jameson at NSF (National Science Foundation) for kindly supporting our conference proposal which made this conference possible. We would also like to thank Darren Sugrue from Elsevier who provided partial support for our conference, and Thennarasu Gunasekaran and his production team from Elsevier who produced this nice special issue. We are grateful to many people (Dr. Zhijian Wu, Lori Ornelas, Elsa Juarez, and many Ph.D. students) at the Department of Mathematical Sciences of UNLV who provided tremendous support for the conference. Finally, we very much appreciate all authors who contributed their precious results to this special issue.

97 MATHEMATICS AND COMPUTING↗

Near-Optimal Performance of Stochastic Model Predictive Control

Here, this article presents a regret analysis for stochastic model predictive control (SMPC) in linear systems with quadratic performance index and additive and multiplicative uncertainties. Under a finite support assumption, the problem can be cast as a finite-dimensional quadratic program, but the problem becomes quickly intractable as the problem size grows exponentially in the horizon length. SMPC aims to compute approximate solutions by solving a sequence of problems with truncated prediction horizons and committing the solution in a receding-horizon fashion. Although this approach is widely used in practice, its performance relative to the optimal solution is not well understood. This article reports for the first time a rigorous near-optimal performance guarantee of SMPC: under stabilizability and detectability conditions, the regret of SMPC is exponentially small in the prediction horizon length, allowing SMPC to achieve near-optimal performance at a substantially reduced computational expense.

93E20, 93B45↗

Machine learning-based ethylene concentration estimation, real-time optimization and feedback control of an experimental electrochemical reactor

With the increase in electricity supply from clean energy sources, electrochemical reduction of carbon dioxide (CO 2 ) has received increasing attention as an alternative source of carbon-based fuels. As CO 2 reduction is becoming a stronger alternative for the clean production of chemicals, the need to model, optimize and control the electrochemical reduction of the CO 2 process becomes inevitable. However, on one hand, a first-principles model to represent the electrochemical CO 2 reduction has not been fully developed yet because of the complexity of its reaction mechanism, which makes it challenging to define a precise state-space model for the control system. On the other hand, the unavailability of efficient concentration measurement sensors continues to challenge our ability to develop feedback control systems. Gas chromatography (GC) is the most common equipment for monitoring the gas product composition, but it requires a period of time to analyze the sample, which means that GC can provide only delayed measurements during the operation. Moreover, the electrochemical CO 2 reduction process is catalyzed by a fast-deactivating copper catalyst and undergoes a selectivity shift from the product-of-interest at the later stages of experiments, which can pose a challenge for conventional control methods. To this end, machine learning (ML) techniques provide a potential approach to overcome those difficulties due to their demonstrated ability to capture the dynamic behavior of a chemical process from data. Motivated by the above considerations, we propose a machine learning-based modeling methodology that integrates support vector regression and first-principles modeling to capture the dynamic behavior of an experimental electrochemical reactor; this model, together with limited gas chromatography measurements, is employed to predict the evolution of gas-phase ethylene concentration. The model prediction is directly used in a proportional-integral (PI) controller that manipulates the applied potential to regulate the gas-phase ethylene concentration at energy-optimal set-point values computed by a real-time process optimizer (RTO). Specifically, the RTO calculates the operation set-point by solving an optimization problem to maximize the economic benefit of the reactor. Finally, suitable compensation methods are introduced to further account for the experimental uncertainties and handle catalyst deactivation. The proposed modeling, optimization, and control approaches are the first demonstration of active control for a CO 2 electrolyzer and contribute to the automation and scale-up efforts for electrified manufacturing of fuels and chemicals starting from CO 2 .

42 ENGINEERING↗

Random Polymerization Strategy Leads to a Family of Donor Polymers Enabling Well‐Controlled Morphology and Multiple Cases of High‐Performance Organic Solar Cells

Abstract Developing high‐performance donor polymers is important for nonfullerene organic solar cells (NF‐OSCs), as state‐of‐the‐art nonfullerene acceptors can only perform well if they are coupled with a matching donor with suitable energy levels. However, there are very limited choices of donor polymers for NF‐OSCs, and the most commonly used ones are polymers named PM6 and PM7, which suffer from several problems. First, the performance of these polymers (particularly PM7) relies on precise control of their molecular weights. Also, their optimal morphology is extremely sensitive to any structural modification. In this work, a family of donor polymers is developed based on a random polymerization strategy. These polymers can achieve well‐controlled morphology and high‐performance with a variety of chemical structures and molecular weights. The polymer donors are D–A1–D–A2‐type random copolymers in which the D and A1 units are monomers originating from PM6 or PM7, while the A2 unit comprises an electron‐deficient core flanked by two thiophene rings with branched alkyl chains. Consequently, multiple cases of highly efficient NF‐OSCs are achieved with efficiencies between 16.0% and 17.1%. As the electron‐deficient cores can be changed to many other structural units, the strategy can easily expand the choices of high‐performance donor polymers for NF‐OSCs.

Liang, Jiaen↗

Homotopy Solver

This software implements parallel versions of an interior-point solver, based on the publicly available ipopt solver. Here we have full control over the linear solver and our algorithm is fully parallel thus enabling scalability to large-scale optimization problems. This package also has a parallel implementation of a homotopy solver developed under the scalable methods for contact LDRD project 23-ERD-017. This solver is an mfem-based implementation of algorithm described in ``A filter trust-region Newton continuation method for nonlinear complementarity problems''. Cosmin G. Petra, Nai-Yuan Chiang, Jingyi Wang, Tucker Hartland, and Michael Puso (submitted), LLNL-JRNL-869761.

Hartland, Tucker [Lawrence Livermore National Labo↗